molecular simulations

Molecular simulations are computer-based methods used to study how molecules behave and interact at the atomic level. By creating digital models of molecules, scientists can predict their movements, reactions, and properties over time. These simulations help researchers understand complex processes in fields like chemistry, biology, and materials science without the need for expensive and time-consuming experiments. Essentially, molecular simulations serve as a virtual laboratory where scientists can explore and analyze molecular dynamics, aiding in drug discovery, material design, and basic scientific research.